N-(4-phenylcyclohexylidene)hydroxylamine

• ChemBase ID: 60422
• Molecular Formular: C12H15NO
• Molecular Mass: 189.2536
• Monoisotopic Mass: 189.11536411
• SMILES: N(=C\1/CCC(c2ccccc2)CC1)/O
• Canonical SMILES: O/N=C/1\CCC(CC1)c1ccccc1
• InChI: InChI=1S/C12H15NO/c14-13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11,14H,6-9H2/b13-12-
• InChIKey: JTLAHVRPWDIEMU-SEYXRHQNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-phenylcyclohexylidene)hydroxylamine
• IUPAC Traditional name: N-(4-phenylcyclohexylidene)hydroxylamine
• Synonyms: 4-Phenylcyclohexanone oxime

Database IDs

• CAS Number: 4500-20-3
• MDL Number: MFCD00456899
• PubChem SID: 162026163
• PubChem CID: 343882

CALCULATED PROPERTIES

• Acid pKa: 11.616288
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9177997
• LogD (pH = 7.4): 2.918462
• Log P: 2.918497
• Molar Refractivity: 56.7127 cm^3
• Polarizability: 21.997835 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%